6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine

C15H10N4OS — CID 59683107

IUPAC6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2nc3ccccc3s2)nc(-c2ccco2)n1
InChIInChI=1S/C15H10N4OS/c16-13-8-10(17-14(19-13)11-5-3-7-20-11)15-18-9-4-1-2-6-12(9)21-15/h1-8H,(H2,16,17,19)
InChIKeyVXAUDFRDCFXSPE-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.60
Rot. Bonds2

About 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine

6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine (PubChem CID 59683107) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine
PubChem CID59683107
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2nc3ccccc3s2)nc(-c2ccco2)n1
InChIInChI=1S/C15H10N4OS/c16-13-8-10(17-14(19-13)11-5-3-7-20-11)15-18-9-4-1-2-6-12(9)21-15/h1-8H,(H2,16,17,19)
InChIKeyVXAUDFRDCFXSPE-UHFFFAOYSA-N
XLogP3.60
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-(furan-2-yl)pyrimidin-4-amine
CID 63353570
2-(2-methylfuran-3-yl)-1,3-benzothiazole
CID 3264944
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
2-chloro-6-(furan-2-yl)pyrimidin-4-amine
CID 66520852
3-(1,3-benzothiazol-2-yl)-2-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(furan-2-yl)thiophene-2,4-diamine
CID 2385338
4-(1,3-benzothiazol-2-yl)oxadiazole
CID 68714459
2-(1-benzofuran-6-yl)-1,3-benzothiazole
CID 123795055
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-(furan-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62201956
5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 24711318

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine (CID 59683107) is 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine is Nc1cc(-c2nc3ccccc3s2)nc(-c2ccco2)n1.
What is the InChIKey of 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine?
The InChIKey is VXAUDFRDCFXSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-13-8-10(17-14(19-13)11-5-3-7-20-11)15-18-9-4-1-2-6-12(9)21-15/h1-8H,(H2,16,17,19).
What are the key properties of 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine?
6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine has a molecular weight of 294.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 59683107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).